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Androstan-17-one
SpectraBase Compound ID Kz1XK9YFvST
InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+,18+,19+/m1/s1
InChIKey YJDYCULVYZDESB-KQHFAPEESA-N
Mol Weight 274.45 g/mol
Molecular Formula C19H30O
Exact Mass 274.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJAZBa9wyzr
Name 5.ALPHA.,14.BETA.-ANDROSTAN-17-ONE
CAS Registry Number 22430-34-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+,18+,19+/m1/s1
InChIKey YJDYCULVYZDESB-KQHFAPEESA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 120
SMILES C1CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C
SPLASH splash10-05tb-9740000000-ecb05aaad85b984891cd
Source File Reference LMCM-75372-202Z
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-17-ONE (5R,8R,9S,10S,13S,14R)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_1973